N-(3-cyanothiophen-2-yl)-4-fluorobenzamide
TL;DR: N-(3-cyanothiophen-2-yl)-4-fluorobenzamide (CAS 749919-77-5) is a chemical compound with molecular formula C12H7FN2OS and molecular weight 246.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)-4-fluorobenzamide
Also Known As: N-(3-cyanothiophen-2-yl)-4-fluorobenzamide, N-(3-Cyano-2-thienyl)-4-fluorobenzamide, Benzamide,N-(3-cyano-2-thienyl)-4-fluoro-, Benzamide, N-(3-cyano-2-thienyl)-4-fluoro- (9CI)
| Molecular Formula | C12H7FN2OS |
|---|---|
| Molecular Weight | 246.03 g/mol |
| LogP | 3.01118 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0263 |
| Heavy Atoms | 17 |
| Complexity | 583.2983 |
Chemical Identifiers
| CAS Number | 749919-77-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(C=CS2)C#N)F |
Product Overview
N-(3-cyanothiophen-2-yl)-4-fluorobenzamide (CAS 749919-77-5), with molecular formula C12H7FN2OS and molecular weight 246.03 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide
Property Insights of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide
The XLogP value of 3.01118 indicates that N-(3-cyanothiophen-2-yl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyanothiophen-2-yl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyanothiophen-2-yl)-4-fluorobenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide?
The CAS number of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide is 749919-77-5.
What is the molecular formula of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide?
The molecular formula of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide is C12H7FN2OS.
What is the molecular weight of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide?
The molecular weight of N-(3-cyanothiophen-2-yl)-4-fluorobenzamide is 246.03 g/mol.
Where can I buy N-(3-cyanothiophen-2-yl)-4-fluorobenzamide?
You can request a quote for N-(3-cyanothiophen-2-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyanothiophen-2-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanothiophen-2-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.